HMDB0042268 RDKit 3D TG(14:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z)) 181180 0 0 0 0 0 0 0 0999 V2000 8.1487 6.1681 2.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9296 5.2922 3.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3129 4.3682 4.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7219 4.3022 5.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5508 5.1575 5.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4516 4.2295 6.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3078 4.2442 5.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9524 5.2144 4.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6654 4.4265 3.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 4.3864 2.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3486 5.1517 3.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1387 6.0918 1.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3345 5.9275 1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 4.8591 1.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 5.4219 2.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7029 5.2547 1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9234 4.4986 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7023 3.2521 0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0747 3.3085 1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4102 3.4527 2.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0627 2.3020 3.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6709 1.9244 3.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6528 2.6183 3.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4279 0.5884 4.0606 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1416 0.0810 4.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3919 0.0931 2.9342 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2434 -0.6003 1.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -0.4492 0.5923 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3970 -0.9915 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4704 -1.6172 -0.2427 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9347 -0.8796 -1.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 0.1509 -2.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2069 0.1919 -4.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7488 0.5658 -4.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4853 1.9016 -3.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0452 2.3175 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 1.3280 -2.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2326 1.7827 -2.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4268 3.1418 -2.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 3.5433 -2.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 4.8926 -1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4372 5.4159 -1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 5.5213 -2.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0889 -0.4350 3.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9594 0.3041 2.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1974 1.4610 2.2587 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3921 -0.2218 2.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9457 -0.7534 1.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -1.2144 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -1.7554 0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 -3.0155 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 -3.4436 -1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -4.7070 -1.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8642 -5.0707 -2.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5557 -6.3249 -3.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 -6.4292 -4.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1861 -5.3739 -5.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9414 -5.4676 -6.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -5.3365 -5.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 -4.0431 -4.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8832 -4.0088 -4.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0046 -5.0831 -3.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3661 -5.0049 -2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4991 -6.0704 -1.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4308 -5.9109 -0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5374 -6.9571 0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4139 -6.6645 1.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4371 -7.6729 3.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -7.5313 3.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0171 5.5191 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8717 6.8550 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4810 6.7377 3.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7782 4.6788 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0988 5.9620 3.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1717 3.6860 3.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1203 3.5619 6.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3724 5.9752 5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 5.5853 6.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6016 3.4684 6.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 3.5261 5.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8238 5.8990 4.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1183 5.8020 4.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 3.8161 2.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 3.7583 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 4.5308 3.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6251 5.8630 3.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5374 6.9049 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 6.6372 0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4376 4.2673 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8183 4.0839 2.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4069 6.0225 3.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5323 5.7640 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0385 4.4693 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5963 5.2335 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8276 3.0622 -0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1358 2.3390 1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6466 2.3500 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6998 4.0788 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1618 4.4333 3.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5732 3.5017 2.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5169 2.4308 4.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6039 1.3929 3.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2475 -1.0008 4.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5753 0.6330 5.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2839 1.1617 2.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2773 -1.7114 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2984 -0.2657 1.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9156 -1.8317 -2.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8936 -0.4955 -1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8007 -0.2289 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6424 1.0993 -2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3008 -0.8580 -4.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 0.8102 -4.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1095 -0.2223 -3.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 0.6355 -5.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1154 2.6798 -3.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8234 1.9549 -2.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 3.3185 -2.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 2.4196 -4.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2437 0.3454 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.1407 -1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5186 1.7790 -3.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 1.0335 -2.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8847 3.9397 -2.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 3.0678 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 2.8392 -1.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2033 3.6148 -3.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 4.8674 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4051 5.6527 -2.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4432 6.4491 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1615 4.7522 -1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 4.5483 -3.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5956 6.3563 -3.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9842 5.7569 -3.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3199 -1.0761 3.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 0.4957 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 -0.0066 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 -1.6460 1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -2.0400 2.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9751 -0.3884 2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1422 -1.9833 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0496 -1.0070 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4485 -2.7995 -0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5174 -3.8490 0.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 -3.5257 -0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -2.5922 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8369 -5.5079 -1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -4.5154 -2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8697 -5.1009 -2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 -4.1684 -3.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 -7.1692 -2.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 -6.4926 -4.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -7.4256 -4.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 -6.4511 -3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0386 -5.5842 -6.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 -4.4064 -4.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 -6.4547 -6.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9628 -4.7110 -7.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -6.2251 -4.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 -5.4114 -6.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 -3.1829 -5.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2488 -3.7876 -4.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9922 -3.0263 -3.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 -4.0573 -4.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9588 -6.0822 -3.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 -4.9504 -2.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3346 -4.0384 -1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1841 -5.0045 -3.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4417 -7.0932 -1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4758 -5.9014 -0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -6.0194 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 -4.8928 0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 -6.9433 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3288 -7.9595 0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -6.7656 1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5043 -5.6284 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -8.6767 2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 -7.4649 3.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6282 -7.4366 4.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -8.3454 3.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 -6.5752 3.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 26 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 6 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 68177 1 0 68178 1 0 69179 1 0 69180 1 0 69181 1 0 M END